Crystallography Open Database

Information card for entry 4114658

Preview

Coordinates	4114658.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Au{C(NHCH3)2}2]PF6.0.5acetone
Formula	C7.5 H19 Au F6 N4 O0.5 P
Calculated formula	C7.5 H16 Au F6 N4 O0.5 P
Title of publication	Remarkable Variations in the Luminescence of Frozen Solutions of [Au{C(NHMe)2}2](PF6).0.5(Acetone). Structural and Spectroscopic Studies of the Effects of Anions and Solvents on Gold(I) Carbene Complexes
Authors of publication	Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Dino S. Tinti; Alan L. Balch
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	2327 - 2336
a	15.4419 ± 0.0006 Å
b	15.4419 ± 0.0006 Å
c	6.3764 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1520.47 ± 0.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0241
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114658.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114658.cif
67998	2012-10-11	cif/ Adding structures of 4114658 via cif-deposit CGI script.	4114658.cif